Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.51 |
| ▸ | CA2 | P00918 | 7/20 | 0.50 |
| ▸ | CA1 | P00915 | 6/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3974092 | 0.81 | SMN1; SMN2 (0.41) | SIGMAR1CA2CA1CA9CA12 | |
| SCHEMBL16734878 | 0.77 | CA2 (0.56) | SIGMAR1CA2CA1MMP1MMP2 | |
| SCHEMBL6320961 | 0.73 | CA2 (0.53) | SIGMAR1CA2CA1MMP1MMP2 | |
| SCHEMBL6320955 | 0.73 | CA2 (0.53) | SIGMAR1CA2CA1MMP1MMP2 | |
| SCHEMBL21093520 | 0.72 | CA2 (0.55) | SIGMAR1CA2CA1MMP1MMP2 | |
| SCHEMBL7151627 | 0.71 | SIGMAR1 (0.64) | SIGMAR1CA2CA1MMP1MMP2 | |
| SCHEMBL13418443 | 0.71 | CA2 (0.53) | SIGMAR1CA2CA1MMP1MMP2 | |
| SCHEMBL2632891 | 0.71 | CA2 (0.57) | SIGMAR1CA2CA1MMP1MMP2 | |
| SCHEMBL3184576 | 0.71 | CA2 (0.56) | SIGMAR1CA2CA1MMP1MMP2 | |
| SCHEMBL1269485 | 0.70 | ALDH1A1 (0.68) | SIGMAR1CA2CA1MMP1MMP2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0458886-B1 | AGENTS FOR DIAGNOSING AND TREATING MELANOMAS, AROMATIC HALOGENATED DERIVATIVES USABLE AS SUCH AGENTS AND THEIR PREPARATION | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 1993-10-13 | — | — | EP | claimed |